BDBM50113036 (2R,4S)-4-Hydroxy-1-[4-(3-methoxy-benzyloxy)-benzenesulfonyl]-piperidine-2-carboxylic acid hydroxyamide::CHEMBL29211

SMILES: COc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1

InChI Key: InChIKey=HESLKHVXAOLKPX-HNAYVOBHSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50113036   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50113036 ((2R,4S)-4-Hydroxy-1-[4-(3-methoxy-benzyloxy)-benze...) Show SMILES COc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1 Show InChI InChI=1S/C20H24N2O7S/c1-28-17-4-2-3-14(11-17)13-29-16-5-7-18(8-6-16)30(26,27)22-10-9-15(23)12-19(22)20(24)21-25/h2-8,11,15,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50113036 ((2R,4S)-4-Hydroxy-1-[4-(3-methoxy-benzyloxy)-benze...) Show SMILES COc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1 Show InChI InChI=1S/C20H24N2O7S/c1-28-17-4-2-3-14(11-17)13-29-16-5-7-18(8-6-16)30(26,27)22-10-9-15(23)12-19(22)20(24)21-25/h2-8,11,15,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50113036 ((2R,4S)-4-Hydroxy-1-[4-(3-methoxy-benzyloxy)-benze...) Show SMILES COc1cccc(COc2ccc(cc2)S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)NO)c1 Show InChI InChI=1S/C20H24N2O7S/c1-28-17-4-2-3-14(11-17)13-29-16-5-7-18(8-6-16)30(26,27)22-10-9-15(23)12-19(22)20(24)21-25/h2-8,11,15,19,23,25H,9-10,12-13H2,1H3,(H,21,24)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
					More data for this Ligand-Target Pair